ethyl 5-[[1-[(4-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-2-chloranyl-benzoate

Systemtic Name: ethyl 5-[[1-[(4-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-2-chloranyl-benzoate Openeye Name: ethyl 5-[[1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-2-chloro-benzoate CAS Name: 5-[[[1-[(4-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[[1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-2-chlorobenzoate Traditional Name: 5-[[1-(4-bromobenzyl)sulfonylisonipecotoyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C22H24BrClN2O5S MolecularWeight: 543.85836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C22H24BrClN2O5S/c1-2-31-22(28)19-13-18(7-8-20(19)24)25-21(27)16-9-11-26(12-10-16)32(29,30)14-15-3-5-17(23)6-4-15/h3-8,13,16H,2,9-12,14H2,1H3,(H,25,27)